SCHEMBL9955645

SCHEMBL9955645

COc1ccc(-c2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.46
TP53 P04637 5/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CSNK1D P48730 3/20 0.43
CSNK1E P49674 3/20 0.43
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RIPK1 Q13546 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9955830 0.92 PIK3CG (0.48) RXFP1TP53LMNAMAPTKDM4E
SCHEMBL9956964 0.90 CSNK1D (0.45) RXFP1TP53LMNAMAPTCSNK1D
SCHEMBL9955007 0.90 RIPK1 (0.47) RXFP1TP53MAPTKDM4EALDH1A1
SCHEMBL9956862 0.90 RXFP1 (0.47) RXFP1TP53KDM4EALDH1A1HPGD
SCHEMBL9956646 0.90 CSNK1D (0.53) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956952 0.90 RXFP1 (0.47) RXFP1TP53LMNAMAPTKDM4E
SCHEMBL9956173 0.89 RXFP1 (0.46) RXFP1TP53CSNK1DCSNK1EPIK3CA
SCHEMBL9957438 0.89 RXFP1 (0.46) RXFP1CSNK1DCSNK1EPIK3CAPIK3CG
SCHEMBL9956148 0.89 PIK3CA (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956240 0.89 PIK3CA (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP claimed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 US claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 RXFP1 1308/4885TP53 10/4885LMNA 966/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.